SCHEMBL7876471

SCHEMBL7876471

CC1(C)CCC(C)(C)c2cc(/C=C/C(=O)Oc3ccc(CO)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.52
RARG P13631 8/20 0.52
RARA P10276 8/20 0.52
CYP26A1 O43174 4/20 0.48
RXRA P19793 7/20 0.46
CYP26B1 Q9NR63 2/20 0.45
CYP3A4 P08684 2/20 0.44
PPARG P37231 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7876472 1.00 RARB (0.52) RARBRARGRARACYP26A1RXRA
SCHEMBL7876157 0.87 KMT2A (0.56) RARBRARGRARACYP26A1RXRA
SCHEMBL7876158 0.87 KMT2A (0.56) RARBRARGRARACYP26A1RXRA
SCHEMBL7876430 0.85 RARB (0.74) RARBRARGRARACYP26A1RXRA
SCHEMBL7876428 0.85 RARB (0.74) RARBRARGRARACYP26A1RXRA
SCHEMBL7879878 0.81 RARB (0.52) RARBRARGRARACYP26A1RXRA
SCHEMBL7879873 0.81 RARB (0.52) RARBRARGRARACYP26A1RXRA
SCHEMBL7882982 0.81 TTR (0.58) RARBRARGRARACYP26A1RXRA
SCHEMBL7882979 0.81 TTR (0.58) RARBRARGRARACYP26A1RXRA
SCHEMBL7879935 0.79 RARB (0.60) RARBRARGRARACYP26A1RXRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US claimed
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed